Chemical Properties of 2-n-butyladamantane (CAS 14449-43-5)

InChI

InChI=1S/C14H24/c1-2-3-4-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,2-9H2,1H3

InChI Key

ZOQLCQXGZZFWAF-UHFFFAOYSA-N

Formula

C14H24

SMILES

CCCCC1C2CC3CC(C2)CC1C3

Molecular Weight¹

192.34

CAS

14449-43-5

Other Names

• 2-Butyladamantane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	221.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-160.73	kJ/mol	Joback Calculated Property
ΔfusH°	26.46	kJ/mol	Joback Calculated Property
ΔvapH°	46.05	kJ/mol	Joback Calculated Property
log10WS	-4.16		Crippen Calculated Property
logPoct/wat	4.249		Crippen Calculated Property
McVol	175.540	ml/mol	McGowan Calculated Property
Pc	2041.91	kPa	Joback Calculated Property
Inp	[1455.00; 1499.00]
Inp	1499.00		NIST
Inp	1455.00		NIST
Inp	1461.00		NIST
Inp	1465.00		NIST
Inp	1472.00		NIST
Inp	1461.00		NIST
Inp	1465.00		NIST
Inp	1468.00		NIST
Inp	1465.00		NIST
Inp	1478.00		NIST
Inp	1489.00		NIST
Inp	1499.00		NIST
Inp	1465.00		NIST
Inp	1465.00		NIST
I	[1651.00; 1692.00]
I	1651.00		NIST
I	1672.00		NIST
I	1692.00		NIST
Tboil	534.87	K	Joback Calculated Property
Tc	736.34	K	Joback Calculated Property
Tfus	289.36	K	Joback Calculated Property
Vc	0.680	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[469.33; 589.13]	J/mol×K	[534.87; 736.34]
Cp,gas	469.33	J/mol×K	534.87	Joback Calculated Property
Cp,gas	492.49	J/mol×K	568.45	Joback Calculated Property
Cp,gas	514.26	J/mol×K	602.03	Joback Calculated Property
Cp,gas	534.73	J/mol×K	635.61	Joback Calculated Property
Cp,gas	553.97	J/mol×K	669.19	Joback Calculated Property
Cp,gas	572.08	J/mol×K	702.77	Joback Calculated Property
Cp,gas	589.13	J/mol×K	736.34	Joback Calculated Property
η	[0.0012460; 0.0017135]	Pa×s	[289.36; 534.87]
η	0.0012460	Pa×s	289.36	Joback Calculated Property
η	0.0013579	Pa×s	330.28	Joback Calculated Property
η	0.0014520	Pa×s	371.20	Joback Calculated Property
η	0.0015322	Pa×s	412.12	Joback Calculated Property
η	0.0016011	Pa×s	453.03	Joback Calculated Property
η	0.0016610	Pa×s	493.95	Joback Calculated Property
η	0.0017135	Pa×s	534.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-n-butyladamantane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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